SCHEMBL13610330

SCHEMBL13610330

COc1ccc(CSSSc2nccc(-c3cccs3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 4/20 0.42
PKM P14618 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 9/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
OPRK1 P41145 1/20 0.38
LMNA P02545 3/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13610383 0.86 RAB9A (0.40) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL13610362 0.85 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13610487 0.78 MAPT (0.52) RAB9ASMN1; SMN2NPC1PKMTDP1
SCHEMBL13610310 0.78 NPC1 (0.49) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL13610447 0.78 RAB9A (0.40) RAB9ASMN1; SMN2NPC1PKMTDP1
SCHEMBL13610466 0.78 ALDH1A1 (0.43) RAB9ASMN1; SMN2NPC1PKMMAPT
SCHEMBL13610513 0.76 RAB9A (0.45) RAB9ASMN1; SMN2NPC1PKMTDP1
SCHEMBL13610404 0.76 KDM4E (0.40) RAB9ASMN1; SMN2MAPTALDH1A1NPSR1
SCHEMBL13610528 0.75 RAB9A (0.49) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL13610426 0.70 NPSR1 (0.46) RAB9ASMN1; SMN2NPC1PKMTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742635-B1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES INC (US) 2018-03-07 EP disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-8334316-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES, INC. (US) 2012-12-18 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-7622507-B2 Substituted organosulfur compounds and methods of using thereof ACEA BIOSCIENCES INC. (US) 2009-11-24 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF ACEA BIOSCIENCES, INC. (US) 2009-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192146-A1 SUBSTITUTED ORGANOSULFUR COMPOUNDS AND METHODS OF USING THEREOF TST, CTH, CBS RAB9A 4609/4885SMN1; SMN2 1171/4885NPC1 3127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.